2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine;hydrochloride

C9H18ClN3 — CID 71755396

IUPAC2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine;hydrochloride
SMILESCCn1nc(C)c(CCN)c1C.Cl
InChIInChI=1S/C9H17N3.ClH/c1-4-12-8(3)9(5-6-10)7(2)11-12;/h4-6,10H2,1-3H3;1H
InChIKeyAYWJOONUGUEVKC-UHFFFAOYSA-N
MW203.72 g/mol
LogP1.44
Rot. Bonds3

About 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine;hydrochloride

2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine;hydrochloride (PubChem CID 71755396) has the molecular formula C9H18ClN3 and a molecular weight of 203.72 g/mol. Its IUPAC name is 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine;hydrochloride
PubChem CID71755396
Molecular FormulaC9H18ClN3
Molecular Weight203.72 g/mol
Exact Mass203.12
IUPAC Name2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine;hydrochloride
SMILESCCn1nc(C)c(CCN)c1C.Cl
InChIInChI=1S/C9H17N3.ClH/c1-4-12-8(3)9(5-6-10)7(2)11-12;/h4-6,10H2,1-3H3;1H
InChIKeyAYWJOONUGUEVKC-UHFFFAOYSA-N
XLogP1.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.72
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanamine
CID 62729687
4-(2-bromoethyl)-1-ethyl-3,5-dimethylpyrazole
CID 103027318
2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride
CID 50988502
(2R)-2-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propane-1,2-diamine
CID 104868295
3-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]propanenitrile
CID 79219987
4-(chloromethyl)-1-ethyl-3,5-dimethylpyrazole
CID 43648133
N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 19621007
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine
CID 63106195
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 7022224
2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethanamine
CID 23005875
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride
CID 75530696
1-ethyl-4-iodo-3,5-dimethylpyrazole
CID 51063680

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine;hydrochloride (CID 71755396) is 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine;hydrochloride is CCn1nc(C)c(CCN)c1C.Cl.
What is the InChIKey of 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine;hydrochloride?
The InChIKey is AYWJOONUGUEVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3.ClH/c1-4-12-8(3)9(5-6-10)7(2)11-12;/h4-6,10H2,1-3H3;1H.
What are the key properties of 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine;hydrochloride?
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine;hydrochloride has a molecular weight of 203.72 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine;hydrochloride is sourced from PubChem (CID 71755396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).